5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one

C15H9F3N2O2 — CID 10267124

IUPAC5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C15H9F3N2O2/c16-7-3-6(1-2-10(7)19)12-5-11(21)13-14(20)8(17)4-9(18)15(13)22-12/h1-5H,19-20H2
InChIKeyGMOZNFGUSCWVJT-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.04
Rot. Bonds1

About 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one

5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one (PubChem CID 10267124) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one
PubChem CID10267124
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C15H9F3N2O2/c16-7-3-6(1-2-10(7)19)12-5-11(21)13-14(20)8(17)4-9(18)15(13)22-12/h1-5H,19-20H2
InChIKeyGMOZNFGUSCWVJT-UHFFFAOYSA-N
XLogP3.04
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one (CID 10267124) is 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one is Nc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F.
What is the InChIKey of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one?
The InChIKey is GMOZNFGUSCWVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-7-3-6(1-2-10(7)19)12-5-11(21)13-14(20)8(17)4-9(18)15(13)22-12/h1-5H,19-20H2.
What are the key properties of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one?
5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one has a molecular weight of 306.24 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one is sourced from PubChem (CID 10267124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).